2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C19H22FN3O2 — CID 26506345

IUPAC2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2cccc(F)c2)c(C)c1
InChIInChI=1S/C19H22FN3O2/c1-12-7-13(2)19(14(3)8-12)23-18(25)11-22-17(24)10-21-16-6-4-5-15(20)9-16/h4-9,21H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPGQMGXYQRQXFCG-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.92
Rot. Bonds6

About 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 26506345) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID26506345
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2cccc(F)c2)c(C)c1
InChIInChI=1S/C19H22FN3O2/c1-12-7-13(2)19(14(3)8-12)23-18(25)11-22-17(24)10-21-16-6-4-5-15(20)9-16/h4-9,21H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPGQMGXYQRQXFCG-UHFFFAOYSA-N
XLogP2.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide
CID 55897825
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 55412776
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54842929
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362409
2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31673888
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 37474549

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 26506345) is 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CNc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is PGQMGXYQRQXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-7-13(2)19(14(3)8-12)23-18(25)11-22-17(24)10-21-16-6-4-5-15(20)9-16/h4-9,21H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 26506345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).